(1S)-1-cyclobutyl-2-phenylethanamine;phosphane

C12H20NP — CID 143108875

IUPAC(1S)-1-cyclobutyl-2-phenylethanamine;phosphane
SMILESN[C@@H](Cc1ccccc1)C1CCC1.P
InChIInChI=1S/C12H17N.H3P/c13-12(11-7-4-8-11)9-10-5-2-1-3-6-10;/h1-3,5-6,11-12H,4,7-9,13H2;1H3/t12-;/m0./s1
InChIKeyNKVYJMJBYYJOME-YDALLXLXSA-N
MW209.27 g/mol
LogP2.41
Rot. Bonds3

About (1S)-1-cyclobutyl-2-phenylethanamine;phosphane

(1S)-1-cyclobutyl-2-phenylethanamine;phosphane (PubChem CID 143108875) has the molecular formula C12H20NP and a molecular weight of 209.27 g/mol. Its IUPAC name is (1S)-1-cyclobutyl-2-phenylethanamine;phosphane.

Molecular Properties

Compound Name(1S)-1-cyclobutyl-2-phenylethanamine;phosphane
PubChem CID143108875
Molecular FormulaC12H20NP
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name(1S)-1-cyclobutyl-2-phenylethanamine;phosphane
SMILESN[C@@H](Cc1ccccc1)C1CCC1.P
InChIInChI=1S/C12H17N.H3P/c13-12(11-7-4-8-11)9-10-5-2-1-3-6-10;/h1-3,5-6,11-12H,4,7-9,13H2;1H3/t12-;/m0./s1
InChIKeyNKVYJMJBYYJOME-YDALLXLXSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-2-phenylethanamine
CID 50988646
(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
CID 11535925
1-(1-ethylpiperidin-4-yl)-2-phenylethanamine
CID 142846398
(1R)-1-(oxetan-3-yl)-2-phenylethanamine
CID 162341038
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
2-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404384
trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol
CID 141079078
2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
CID 79921850
2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65477706

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclobutyl-2-phenylethanamine;phosphane?
The IUPAC name of (1S)-1-cyclobutyl-2-phenylethanamine;phosphane (CID 143108875) is (1S)-1-cyclobutyl-2-phenylethanamine;phosphane.
What is the SMILES notation for (1S)-1-cyclobutyl-2-phenylethanamine;phosphane?
The canonical SMILES for (1S)-1-cyclobutyl-2-phenylethanamine;phosphane is N[C@@H](Cc1ccccc1)C1CCC1.P.
What is the InChIKey of (1S)-1-cyclobutyl-2-phenylethanamine;phosphane?
The InChIKey is NKVYJMJBYYJOME-YDALLXLXSA-N. The full InChI is InChI=1S/C12H17N.H3P/c13-12(11-7-4-8-11)9-10-5-2-1-3-6-10;/h1-3,5-6,11-12H,4,7-9,13H2;1H3/t12-;/m0./s1.
What are the key properties of (1S)-1-cyclobutyl-2-phenylethanamine;phosphane?
(1S)-1-cyclobutyl-2-phenylethanamine;phosphane has a molecular weight of 209.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclobutyl-2-phenylethanamine;phosphane is sourced from PubChem (CID 143108875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).